[PdCl2(1,1'-bis(diethylphosphino)ferrocene)] | 849062-52-8

• 分子结构分类: 有机化合物 - 有机磷化合物
• 英文名称: [PdCl2(1,1'-bis(diethylphosphino)ferrocene)]
• 英文别名: [1,1'-bis(diethylphopshino)ferrocene]PdCl2；cyclopenta-2,4-dien-1-yl(diethyl)phosphane;iron(2+);palladium(2+);dichloride
• CAS: 849062-52-8
• 化学式: C₁₈H₂₈Cl₂FeP₂Pd
• 分子量: 539.541
• InChiKey: MIPISKGWXAKIGL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.89
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [PdCl2(1,1'-bis(diethylphosphino)ferrocene)] 、 水 、 silver(I) 4-methylbenzenesulfonate 以 二氯甲烷 为溶剂， 生成 [Pd(H2O)(1,1'-bis(diethylphosphino)ferrocene)(tosylato)](tosylate)
  参考文献：
  名称：

  Ethylene Carbonylation in Methanol and in Aqueous Media by Palladium(II) Catalysts Modified with 1,1‘-Bis(dialkylphosphino)ferrocenes

  摘要：

  Palladium(II) complexes with the formula [Pd(H2O)(OTs)(P-P)]OTs, where P-P is 1,1'-bis-(dimethylphosphino)ferrocene (dmpf), 1,1'-bis(diethylphosphino)ferrocene (depf), or 1,1'-bis-(diisopropylphosphino)ferrocene (dippf), have been synthesized and used to catalyze the carbonylation of ethylene in MeOH, water, or a 1/1 water/1,4-dioxane mixture. In MeOH, the reactions catalyzed by the dmpf and depf complexes gave alternating polyketone (alt-E-CO), while methyl propanoate and 3-pentanone were selectively produced with the dippf catalyst. The last catalyst was inactive in aqueous solvent. In contrast, the dmpf and depf catalysts were active in either water or water/1,4-dioxane for the copolymerization of CO with ethylene. These two catalysts were efficient also for the terpolymerization of CO with ethylene and propene in MeOH or water/1,4-dioxane. Operando high-pressure NMR experiments and in situ reactions with model compounds have provided useful information to rationalize the activity and selectivity of the catalytic systems investigated.

  DOI：

  10.1021/om049109w
• 作为产物：
  描述：

  dichloro(cycloocta-1,5-diene)palladium (II) 、 1,1'-bis(diethylphosphino)ferrocene 以 二氯甲烷 为溶剂， 生成 [PdCl2(1,1'-bis(diethylphosphino)ferrocene)]
  参考文献：
  名称：

  Ethylene Carbonylation in Methanol and in Aqueous Media by Palladium(II) Catalysts Modified with 1,1‘-Bis(dialkylphosphino)ferrocenes

  摘要：

  Palladium(II) complexes with the formula [Pd(H2O)(OTs)(P-P)]OTs, where P-P is 1,1'-bis-(dimethylphosphino)ferrocene (dmpf), 1,1'-bis(diethylphosphino)ferrocene (depf), or 1,1'-bis-(diisopropylphosphino)ferrocene (dippf), have been synthesized and used to catalyze the carbonylation of ethylene in MeOH, water, or a 1/1 water/1,4-dioxane mixture. In MeOH, the reactions catalyzed by the dmpf and depf complexes gave alternating polyketone (alt-E-CO), while methyl propanoate and 3-pentanone were selectively produced with the dippf catalyst. The last catalyst was inactive in aqueous solvent. In contrast, the dmpf and depf catalysts were active in either water or water/1,4-dioxane for the copolymerization of CO with ethylene. These two catalysts were efficient also for the terpolymerization of CO with ethylene and propene in MeOH or water/1,4-dioxane. Operando high-pressure NMR experiments and in situ reactions with model compounds have provided useful information to rationalize the activity and selectivity of the catalytic systems investigated.

  DOI：

  10.1021/om049109w

文献信息

• Palladium Complexes with Metallocene-Bridged Bidentate Diphosphine Ligands:  Synthesis, Structure, and Catalytic Activity in Amination and Cross-Coupling Reactions
  作者：Oleg V. Gusev、Tat'yana A. Peganova、Alexander M. Kalsin、Nikolai V. Vologdin、Pavel V. Petrovskii、Konstantin A. Lyssenko、Aleksey V. Tsvetkov、Irina P. Beletskaya

  DOI：10.1021/om050869w

  日期：2006.5.1

  characterization of series of new metallocene-bridged diphosphines and the structures of complexes of some of them with Pd(II) are reported. These complexes were examined as the catalysts in amination reactions of halogenoarenes and in the Suzuki reaction. The complexes based on ruthenocene (2) and osmocene (3) showed lower activities then the palladium complex with dppf in amination reactions and the same

  报道了一系列新的茂金属桥联的二膦的合成，表征以及其中一些与Pd（II）的配合物的结构。在卤代芳烃的胺化反应和Suzuki反应中，将这些配合物作为催化剂进行了研究。基于钌茂茂（2）和渗透茂（3）的配合物在胺化反应中的活性比具有dppf的钯配合物低，而在Suzuki反应中则具有相同的活性。新钯络合物与二齿笨重和富电子的配体的Fe（η 5 -C 5 H ^ 4 P（ø -Pr我Ç 6 ħ 4）2）2（6）和Fe（η 5 -C 5 H ^ 4 P（ø -MeOC 6 ħ 4）2）2（5）显示出非常高的催化在胺化和铃木活性芳基溴化物的耦合。与配体6的配合物被伯胺和仲胺用于4-溴甲苯的胺化反应，并显示出优异的活性。